2-[(cyclobutylamino)methyl]-5-methoxyphenol

C12H17NO2 — CID 62414161

IUPAC2-[(cyclobutylamino)methyl]-5-methoxyphenol
SMILESCOc1ccc(CNC2CCC2)c(O)c1
InChIInChI=1S/C12H17NO2/c1-15-11-6-5-9(12(14)7-11)8-13-10-3-2-4-10/h5-7,10,13-14H,2-4,8H2,1H3
InChIKeyFZIRRRIZWNEABR-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.04
Rot. Bonds4

About 2-[(cyclobutylamino)methyl]-5-methoxyphenol

2-[(cyclobutylamino)methyl]-5-methoxyphenol (PubChem CID 62414161) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-[(cyclobutylamino)methyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[(cyclobutylamino)methyl]-5-methoxyphenol
PubChem CID62414161
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-[(cyclobutylamino)methyl]-5-methoxyphenol
SMILESCOc1ccc(CNC2CCC2)c(O)c1
InChIInChI=1S/C12H17NO2/c1-15-11-6-5-9(12(14)7-11)8-13-10-3-2-4-10/h5-7,10,13-14H,2-4,8H2,1H3
InChIKeyFZIRRRIZWNEABR-UHFFFAOYSA-N
XLogP2.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-2-[[(1-methylpiperidin-3-yl)amino]methyl]phenol
CID 61264001
N-[(2-chloro-4-methoxyphenyl)methyl]cyclopentanamine
CID 82292670
2-[(cyclopropylmethylamino)methyl]-5-methoxyphenol
CID 61268390
N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687
2-[[(2,2-dimethylcyclohexyl)amino]methyl]-5-methoxyphenol
CID 79861822
2-[(cyclobutylamino)methyl]-5-fluorophenol
CID 117220815
N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride
CID 21435442
5-methoxy-2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]phenol
CID 61263630
2-[[(1-ethylpiperidin-4-yl)amino]methyl]-4-methoxyphenol
CID 54917281
N-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine
CID 103757549
N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine
CID 43163816

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclobutylamino)methyl]-5-methoxyphenol?
The IUPAC name of 2-[(cyclobutylamino)methyl]-5-methoxyphenol (CID 62414161) is 2-[(cyclobutylamino)methyl]-5-methoxyphenol.
What is the SMILES notation for 2-[(cyclobutylamino)methyl]-5-methoxyphenol?
The canonical SMILES for 2-[(cyclobutylamino)methyl]-5-methoxyphenol is COc1ccc(CNC2CCC2)c(O)c1.
What is the InChIKey of 2-[(cyclobutylamino)methyl]-5-methoxyphenol?
The InChIKey is FZIRRRIZWNEABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-15-11-6-5-9(12(14)7-11)8-13-10-3-2-4-10/h5-7,10,13-14H,2-4,8H2,1H3.
What are the key properties of 2-[(cyclobutylamino)methyl]-5-methoxyphenol?
2-[(cyclobutylamino)methyl]-5-methoxyphenol has a molecular weight of 207.27 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclobutylamino)methyl]-5-methoxyphenol is sourced from PubChem (CID 62414161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).